pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.69	IUPAC digitized pKa	0	-1	O=C(O)c1cc(O)cc2ccccc12	O=C([O-])c1cc(O)cc2ccccc12	mol11488	O=C(O)c1cc(O)cc2ccccc12
3.69000005722046	QSARToolbox	0	-1	O=C(O)c1cc(O)cc2ccccc12	O=C([O-])c1cc(O)cc2ccccc12	mol11488	O=C(O)c1cc(O)cc2ccccc12
9.78	IUPAC digitized pKa	-1	-2	O=C([O-])c1cc(O)cc2ccccc12	O=C([O-])c1cc([O-])cc2ccccc12	mol11488	O=C(O)c1cc(O)cc2ccccc12
9.77999973297119	QSARToolbox	-1	-2	O=C([O-])c1cc(O)cc2ccccc12	O=C([O-])c1cc([O-])cc2ccccc12	mol11488	O=C(O)c1cc(O)cc2ccccc12